pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	IUPAC digitized pKa	1	0	CNc1nc(C)[nH+]c2c1cnn2C,CNc1nc(C)nc2c1c[nH+]n2C,CNc1[nH+]c(C)nc2c1cnn2C,C[NH2+]c1nc(C)nc2c1cnn2C	CNc1nc(C)nc2c1cnn2C	mol4944	CNc1nc(C)nc2c1cnn2C
5.0	Datawarrior	1	0	CNc1nc(C)[nH+]c2c1cnn2C,CNc1nc(C)nc2c1c[nH+]n2C,CNc1[nH+]c(C)nc2c1cnn2C,C[NH2+]c1nc(C)nc2c1cnn2C	CNc1nc(C)nc2c1cnn2C	mol4944	CNc1nc(C)nc2c1cnn2C